1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione

C6H9NO4 — CID 130129765

IUPAC1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C(O)CO
InChIInChI=1S/C6H9NO4/c8-3-6(11)7-4(9)1-2-5(7)10/h6,8,11H,1-3H2
InChIKeyUTTSDDWNISTCCG-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.55
Rot. Bonds2

About 1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione

1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione (PubChem CID 130129765) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione
PubChem CID130129765
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C(O)CO
InChIInChI=1S/C6H9NO4/c8-3-6(11)7-4(9)1-2-5(7)10/h6,8,11H,1-3H2
InChIKeyUTTSDDWNISTCCG-UHFFFAOYSA-N
XLogP-1.55
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 139662518
2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid
CID 14112493
1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
CID 71354940
1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione
CID 127013554
2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid
CID 15236441
3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid
CID 88746049
methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate
CID 139781494
(2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate
CID 167101297
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
1-(1-aminopropyl)pyrrolidine-2,5-dione
CID 155092296
2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 2770225
2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid
CID 173433095

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione (CID 130129765) is 1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1C(O)CO.
What is the InChIKey of 1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione?
The InChIKey is UTTSDDWNISTCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-3-6(11)7-4(9)1-2-5(7)10/h6,8,11H,1-3H2.
What are the key properties of 1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione?
1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione has a molecular weight of 159.14 g/mol, XLogP of -1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 130129765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).